| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 20th, 2011 | 40 | No |
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.00 | 2.78 | -18.38 | 5 | 10 | 0 | 179 | 544.512 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.58 | 2.18 | -138.66 | 4 | 10 | -2 | 187 | 542.496 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.58 | 3.22 | -203.36 | 3 | 10 | -3 | 190 | 541.488 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.58 | 1.19 | -58.35 | 5 | 10 | -1 | 185 | 543.504 | 0 | ↓ |
| Mid Mid (pH 6-8) | 2.00 | 3.78 | -52.44 | 4 | 10 | -1 | 181 | 543.504 | 0 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
